cyclopenta-1,3-diene; 9H-fluoren-9-ide; (phenylmethylidene)zirconium(2+)

Systemtic Name: cyclopenta-1,3-diene; 9H-fluoren-9-ide; (phenylmethylidene)zirconium(2+) Openeye Name: benzylidenezirconium(2+); cyclopenta-1,3-diene; 9H-fluoren-9-ide CAS Name: cyclopenta-1,3-diene; 9H-fluoren-9-ide; (phenylmethylene)zirconium(2+) IUPAC Name: benzylidenezirconium(2+); cyclopenta-1,3-diene; 9H-fluoren-9-ide Traditional Name: benzalzirconium(2+); cyclopenta-1,3-diene; 9H-fluoren-9-ide Formula: C25H20Zr MolecularWeight: 411.6503

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CC=[C-]1.[CH-]1C2=CC=CC=C2C3=CC=CC=C31.C1=CC=C(C=C1)C=[Zr+2]

Isomeric SMILES

C1C=CC=[C-]1.[CH-]1C2=CC=CC=C2C3=CC=CC=C31.C1=CC=C(C=C1)C=[Zr+2]

InChI

InChI=1S/C13H9.C7H6.C5H5.Zr/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-7-5-3-2-4-6-7;1-2-4-5-3-1;/h1-9H;1-6H;1-3H,4H2;/q-1;;-1;+2